Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ARG1 | P05089 | 2/20 | 0.35 |
| ▸ | ARG2 | P78540 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | GGT1 | P19440 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8741958 | 1.00 | CYP2D6 (0.40) | CYP2D6CYP1A2ALDH1A1TSHRARG1 | |
| SCHEMBL62851 | 0.97 | — | — | |
| SCHEMBL164980 | 0.97 | — | — | |
| SCHEMBL62852 | 0.97 | — | — | |
| SCHEMBL723877 | 0.97 | CYP2D6 (0.41) | CYP2D6CYP1A2ALDH1A1TSHRARG1 | |
| Hydrochloric Acid SCHEMBL18281053 | 0.94 | CYP2D6 (0.40) | CYP2D6CYP1A2ALDH1A1TSHRARG1 | |
| Hydrochloric Acid SCHEMBL17140724 | 0.94 | CYP2D6 (0.40) | CYP2D6CYP1A2ALDH1A1TSHRARG1 | |
| Hydrochloric Acid SCHEMBL247261 | 0.94 | CYP2D6 (0.40) | CYP2D6CYP1A2ALDH1A1TSHRARG1 | |
| SCHEMBL16150185 | 0.85 | CYP1A2 (0.35) | CYP2D6CYP1A2ALDH1A1TSHRARG1 | |
| SCHEMBL3979627 | 0.78 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0738155-A4 | MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES | ARQULE PARTNERS L P (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0738155-A1 | MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES | ARQULE, INC. (US) | 1996-10-23 | — | — | EP | disclosed |
| EP-0649443-A4 | OXAZOLONE DERIVED MATERIALS. | LEGOMER PARTNERS LP (US) | 1995-11-08 | — | — | EP | disclosed |
| CN-1105353-A | Modular design and synthesis of oxazolone-derived molecules | ARQULE PARTNERS L P (US) | 1995-07-19 | — | — | CN | disclosed |
| WO-1995017903-A1 | MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES | ARQULE PARTNERS, L.P. (US) | 1995-07-06 | — | — | WO | disclosed |
| EP-0649443-A1 | OXAZOLONE DERIVED MATERIALS | LEGOMER PARTNERS, L.P. (US) | 1995-04-26 | — | — | EP | disclosed |
| WO-1994000509-A9 | OXAZOLONE DERIVED MATERIALS | — | 1994-03-17 | — | — | WO | disclosed |
| WO-1994000509-A1 | OXAZOLONE DERIVED MATERIALS | LEGOMER PARTNERS, L.P. (US) | 1994-01-06 | — | — | WO | disclosed |